Geometry & MOs

Info

ID:	442402
PubChem CID:	135251859
Reduced:	SN3C24H31 (1)
Stoich.:	AB3C24D31 (1)
Weight, g/mol:	455.216197
ΔH_f, kcal/mol:	40.39
Dipole, Da:	6.04
IP(EA), eV:	-7.39(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-10-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]phenothiazine

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCN(CC2)CCCN3C4=CC=CC=C4SC5=CC=CC=C53

DOS

IR

Vibrations